Martin Karplus

Taking Experiments to Cyberspace

Affiliation at the time of the award: Université de Strasbourg, Strasbourg, France, Harvard University, Cambridge, MA, USA

Prize motivation: “for the development of multiscale models for complex chemical systems”

Field: biochemistry, physical chemistry, theoretical chemistry

The world around us is made up of atoms that are joined together to form molecules. During chemical reactions atoms change places and new molecules are formed. To accurately predict the course of the reactions at the sites where the reaction occurs advanced calculations based on quantum mechanics are required. For other parts of the molecules, it is possible to use the less complicated calculations of classical mechanics. In the 1970s, Martin Karplus, Michael Levitt, and Arieh Warshel successfully developed methods that combined quantum and classical mechanics to calculate the courses of chemical reactions using computers.

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